CID 117930

2-((4-phenylpiperazinyl)methyl)quinoline dihydrochloride

Structural Information

Molecular Formula
C20H21N3
SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)16-18-11-10-17-6-4-5-9-20(17)21-18/h1-11H,12-16H2
InChIKey
AYYGDHAILGUSIQ-UHFFFAOYSA-N
Compound name
2-[(4-phenylpiperazin-1-yl)methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.17355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18083 174.6
[M+Na]+ 326.16277 179.9
[M-H]- 302.16627 179.4
[M+NH4]+ 321.20737 185.2
[M+K]+ 342.13671 172.7
[M+H-H2O]+ 286.17081 161.9
[M+HCOO]- 348.17175 189.2
[M+CH3COO]- 362.18740 183.1
[M+Na-2H]- 324.14822 180.2
[M]+ 303.17300 169.2
[M]- 303.17410 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.